Chemical Properties of Cis Megastigma-5,8-diene-4-one

InChI

InChI=1S/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5-6H,7-9H2,1-4H3/b6-5-

InChI Key

CVDHBGKYPTUEAA-WAYWQWQTSA-N

Formula

C13H20O

SMILES

CC=CCC1=C(C)C(=O)CCC1(C)C

Molecular Weight¹

192.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	45.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-227.73	kJ/mol	Joback Calculated Property
ΔfusH°	15.12	kJ/mol	Joback Calculated Property
ΔvapH°	49.63	kJ/mol	Joback Calculated Property
log10WS	-3.90		Crippen Calculated Property
logPoct/wat	3.658		Crippen Calculated Property
McVol	176.140	ml/mol	McGowan Calculated Property
Pc	2218.71	kPa	Joback Calculated Property
Inp	[1517.00; 1517.00]
Inp	1517.00		NIST
Inp	1517.00		NIST
I	[2026.00; 2026.00]
I	2026.00		NIST
I	2026.00		NIST
Tboil	597.73	K	Joback Calculated Property
Tc	822.54	K	Joback Calculated Property
Tfus	356.49	K	Joback Calculated Property
Vc	0.667	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[447.71; 547.09]	J/mol×K	[597.73; 822.54]
Cp,gas	447.71	J/mol×K	597.73	Joback Calculated Property
Cp,gas	466.32	J/mol×K	635.20	Joback Calculated Property
Cp,gas	483.96	J/mol×K	672.67	Joback Calculated Property
Cp,gas	500.76	J/mol×K	710.14	Joback Calculated Property
Cp,gas	516.80	J/mol×K	747.60	Joback Calculated Property
Cp,gas	532.21	J/mol×K	785.07	Joback Calculated Property
Cp,gas	547.09	J/mol×K	822.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cis Megastigma-5,8-diene-4-one.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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